 |
| Ligand Name:
(3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate |
| HET ID: QNB |
PubChem:
688566
|
| DrugBank: - |
ChEMBL: CHEMBL558910 |
| Canonical SMILES: O=C(C(c1ccccc1)(c1ccccc1)O)O[C@H]1CN2CCC1CC2 |
| Standard InChI: InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1 |
| Molecular Formula: C21H23NO3 |
Mol. Weight: 337.41223 |
Heavy Atoms: 25 |
| Charge: 0 |
Is Chiral: True |
logP: 2.4978 |
| HBD: 1 |
HBA: 4 |
TPSA: 49.77 |
| #Bonds: 29 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.3809524 |
| Stereocomplexity: 0.14285715 |
Ligand Type: Small Molecule |